N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-methyl-6-(trifluoromethyl)pyrimidin-2-amine

C13H16F3N5 — CID 44824469

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-methyl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCc1cc(C(F)(F)F)nc(NCCn2nc(C)cc2C)n1
InChIInChI=1S/C13H16F3N5/c1-8-7-11(13(14,15)16)19-12(18-8)17-4-5-21-10(3)6-9(2)20-21/h6-7H,4-5H2,1-3H3,(H,17,18,19)
InChIKeyBASKXEKOBHSSDD-UHFFFAOYSA-N
MW299.30 g/mol
LogP2.73
Rot. Bonds4

About N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-methyl-6-(trifluoromethyl)pyrimidin-2-amine

N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-methyl-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 44824469) has the molecular formula C13H16F3N5 and a molecular weight of 299.30 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-methyl-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-methyl-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID44824469
Molecular FormulaC13H16F3N5
Molecular Weight299.30 g/mol
Exact Mass299.14
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-methyl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCc1cc(C(F)(F)F)nc(NCCn2nc(C)cc2C)n1
InChIInChI=1S/C13H16F3N5/c1-8-7-11(13(14,15)16)19-12(18-8)17-4-5-21-10(3)6-9(2)20-21/h6-7H,4-5H2,1-3H3,(H,17,18,19)
InChIKeyBASKXEKOBHSSDD-UHFFFAOYSA-N
XLogP2.73
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-N,4-N-bis[3-(3,5-dimethylpyrazol-1-yl)propyl]-6-methyl-1,3,5-triazine-2,4-diamine
CID 86816276
2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-6-methylpyrimidine-4-carbothioamide
CID 107548151
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]hydroxylamine
CID 122626197
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-hydrazinyl-6-methylpyrimidin-4-amine
CID 114542222
3-bromo-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]aniline
CID 62564004
3,5-dimethyl-1-(4,4,4-trifluorobutyl)pyrazole
CID 115518541
3,5-dimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazole
CID 63811735
4-methyl-N-phenyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 20585928
N-tert-butyl-5-(3,5-dimethylpyrazol-1-yl)pentan-1-amine
CID 62449266
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19534766
N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(4-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 44824552
1-(2,2-dimethylpropyl)-3-[2-(3,5-dimethylpyrazol-1-yl)ethyl]urea
CID 110747708

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-methyl-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-methyl-6-(trifluoromethyl)pyrimidin-2-amine (CID 44824469) is N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-methyl-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-methyl-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-methyl-6-(trifluoromethyl)pyrimidin-2-amine is Cc1cc(C(F)(F)F)nc(NCCn2nc(C)cc2C)n1.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-methyl-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is BASKXEKOBHSSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N5/c1-8-7-11(13(14,15)16)19-12(18-8)17-4-5-21-10(3)6-9(2)20-21/h6-7H,4-5H2,1-3H3,(H,17,18,19).
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-methyl-6-(trifluoromethyl)pyrimidin-2-amine?
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-methyl-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 299.30 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-methyl-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 44824469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).